Surface to bulk charge transfer at an alkali metal/metal oxide interface

2003 ◽  
Vol 547 (1-2) ◽  
pp. L859-L864 ◽  
Author(s):  
R Lindsay ◽  
E Michelangeli ◽  
B.G Daniels ◽  
M Polcik ◽  
A Verdini ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Alkali Metal ◽  
Metal Oxide ◽  
Oxide Interface ◽  
Metal Metal ◽  
Bulk Charge

Force-field with Charge Transfer and Classical Molecular Dynamics Study for Metal-/Metal Oxide/Polyimide Interfaces

2008 ◽  
Author(s):  
Yoko Saito ◽  
Mariko Miyazaki ◽  
Tomio Iwasaki ◽  
Naoya Sasaki ◽  
Hongmei Jin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Charge Transfer ◽  
Metal Oxide ◽  
Force Field ◽  
Classical Molecular Dynamics ◽  
Metal Metal

A rational design of a Pd-based catalyst with a metal–metal oxide interface influencing molecular oxygen in the aerobic oxidation of alcohols

2019 ◽  
Vol 21 (9) ◽  
pp. 2494-2503 ◽  
Author(s):  
Songhita Meher ◽  
Rohit Kumar Rana
Keyword(s):  
Catalytic Activity ◽  
Metal Oxide ◽  
Molecular Oxygen ◽  
Rational Design ◽  
Aerobic Oxidation ◽  
Oxide Interface ◽  
Metal Metal ◽  
Oxidation Of Alcohols

The Pd–PdO interface stabilized on the rGO surface is shown to be the key to achieve enhanced catalytic activity in oxidation of alcohols under O2 as the oxidant.

Chemistry and catalysis at the metal/metal oxide interface

1989 ◽  
Vol 87 ◽  
pp. 121 ◽  
Author(s):  
Jas Pal S. Badyal ◽  
Roger M. Nix ◽  
Trevor Rayment ◽  
Richard M. Lambert
Keyword(s):  
Metal Oxide ◽  
Oxide Interface ◽  
Metal Metal

Models of Mixed Metal-Oxide Interfaces for Atomistic Materials Simulations

2012 ◽  
Vol 1444 ◽  
Author(s):  
Steven M. Valone
Keyword(s):  
Metal Oxide ◽  
Point Of View ◽  
Mixed Metal Oxide ◽  
Oxide Interface ◽  
Electron Hopping ◽  
Intimate Contact ◽  
Metal Centers ◽  
Electron Sources ◽  
Embedded Atom ◽  
Metal Metal

ABSTRACTNuclear fuels and materials present special problems to atomistic-scale modeling. At a metal-metal-oxide interface, the metal centers are charged on the oxide side, but neutral on the metallic side. The intimate contact necessitates that atomistic models for these materials be both compatible and consistent with one another at some level. A new "fragment’’ Hamiltonian (FH) model, at the atomistic level, is presented that reduces qualitatively to existing, successful models for metals, such as the embedded atom method, and ceramics, such as the charge equilibration models. Moreover, the FH model possesses both electron hopping and fundamental gaps that appear as separate terms in a generalized embedding function. The electron hopping contributions come from both one-electron and two-electron sources. These contributions appear as a result of the FH point of view, rather than being postulated. The model obeys certain wellknown theoretical limits that come from the nonlinearity of electron hopping processes as the volume of a crystal is changed. The generalized notion of embedding entails two variables instead of one. The ability to account for multiple charge states in the cations leads to the capability within the model to distinguish the qualitative differences among metallic, ionic, and covalent bonding environments. The details of all of these energies, among with fragmentfragment interactions, combine to determine the state of the atom in the material.

Tuning the CO oxidation catalytic activity of supported metal–metal oxide heterostructures by an aqueous phase post-treatment process

2016 ◽  
Vol 4 (46) ◽  
pp. 18075-18083 ◽  
Author(s):  
Chunzheng Wu ◽  
Rosaria Brescia ◽  
Mirko Prato ◽  
Sergio Marras ◽  
Liberato Manna ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
High Temperature ◽  
Metal Oxide ◽  
Co Oxidation ◽  
Treatment Process ◽  
Oxide Interface ◽  
Oxide Heterostructures ◽  
Metal Metal ◽  
Ligand Free ◽  
Post Treatment Process

Colloidal Au–MnO heterodimers were deposited on SiO2 and calcined at high temperature in air in order to prepare a ligand-free Au–Mn3O4/SiO2 model catalyst for CO oxidation with a well-defined Au size and Au–metal oxide interface.

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